2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol

C18H26N2O — CID 118725727

IUPAC2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H26N2O/c1-12-2-3-17(21)16(20-12)10-19-11-18-7-13-4-14(8-18)6-15(5-13)9-18/h2-3,13-15,19,21H,4-11H2,1H3
InChIKeyBDYLAZAFKOJENQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.40
Rot. Bonds4

About 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol

2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol (PubChem CID 118725727) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol
PubChem CID118725727
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H26N2O/c1-12-2-3-17(21)16(20-12)10-19-11-18-7-13-4-14(8-18)6-15(5-13)9-18/h2-3,13-15,19,21H,4-11H2,1H3
InChIKeyBDYLAZAFKOJENQ-UHFFFAOYSA-N
XLogP3.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol (CID 118725727) is 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol?
The InChIKey is BDYLAZAFKOJENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-2-3-17(21)16(20-12)10-19-11-18-7-13-4-14(8-18)6-15(5-13)9-18/h2-3,13-15,19,21H,4-11H2,1H3.
What are the key properties of 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol?
2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol has a molecular weight of 286.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-adamantylmethylamino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 118725727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).